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CAS 165071-09-0 Pazufloxacin Impurity 14 molecular structure lightbox
CAS RN: 165071-09-0

Pazufloxacin Impurity 14

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260308 25mg / 100mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS165071-09-0
  • Purity/Analytical Methods: >99.0%
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165071-09-0 / (2S)-6-cyano-7-fluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid

Standard CAS: 165071-09-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
165071-09-0
Multi CAS
No
Molecular Formula
C14H9FN2O4
Molecular Weight
288.230000
Exact Mass
288.054635
SMILES
C[C@H]1COC2=C3N1C=C(C(=O)C3=CC(=C2C#N)F)C(=O)O
InChI
InChI=1S/C14H9FN2O4/c1-6-5-21-13-8(3-16)10(15)2-7-11(13)17(6)4-9(12(7)18)14(19)20/h2,4,6H,5H2,1H3,(H,19,20)/t6-/m0/s1
InChIKey
VZQJOFFKKPDEJX-LURJTMIESA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
10
Fraction Csp3
0.21
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
70.05
TPSA
92.32

LogP / Solubility

WLOGP
1.66
MLOGP
1.47
XLogP3
1.7
Consensus LogP
1.61
Log S (ESOL)
-2.96
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.12
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.03
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.3

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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